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Phys. Rev. Lett. 101, 037210 (2008) [4 pages]

First Principles Study of Improper Ferroelectricity in TbMnO₃

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Andrei Malashevich and David Vanderbilt
Department of Physics & Astronomy, Rutgers University, Piscataway, New Jersey 08854-8019, USA

Received 28 March 2008; published 18 July 2008

Wecarry out a first-principles theoretical study of the magnetically inducedpolarization in orthorhombic TbMnO₃, a prototypical material in which acycloidal-spin structure generates an electric polarization via the spin-orbit interaction.We compute both the electronic and the lattice-mediated contributions tothe polarization and find that the latter is strongly dominant.We analyze the spin-orbit induced forces and lattice displacements fromboth atomic and mode-decomposition viewpoints, and show that a simplemodel based on nearest Mn-Mn neighbor Dzyaloshinskii-Moriya interactions is notable to account fully for the results. The direction andmagnitude of our computed polarization are in good agreement withexperiment.

©2008 The American Physical Society

URL:	http://link.aps.org/doi/10.1103/PhysRevLett.101.037210
DOI:	10.1103/PhysRevLett.101.037210
PACS:	75.80.+q; 77.80.-e 75.80.+q Magnetomechanical and magnetoelectric effects, magnetostriction 77.80.-e Ferroelectricity and antiferroelectricity YEAR: 2008

See Also

Spin-Orbit Coupling and Ion Displacements in Multiferroic TbMnO₃
H. J. Xiang, Su-Huai Wei, M.-H. Whangbo et al.
Phys. Rev. Lett. 101, 037209 (2008)

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Related Articles

Spin-Orbit Coupling and Ion Displacements in Multiferroic TbMnO₃
H. J. Xiang, Su-Huai Wei, M.-H. Whangbo et al.
Phys. Rev. Lett. 101, 037209 (2008)

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